UCSF

ZINC52374395

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 19 Yes

Popular Name: 1-[1-(2-isoindolin-2-ylethyl)triazol-4-yl]-N-methyl-methanamine 1-[1-(2-isoindolin-2-ylethyl)tri…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.67 6.32 -100.96 3 5 2 52 259.357 5 ↓
Hi High (pH 8-9.5) 0.67 4.87 -48.04 2 5 1 47 258.349 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.